SCHEMBL13530348

SCHEMBL13530348

CCCCOc1cc(COc2ncc(F)c(N)n2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
HTT P42858 1/20 0.40
PDE4A P27815 2/20 0.40
MAPK1 P28482 2/20 0.40
PDE4D Q08499 2/20 0.40
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13530437 0.90 HTT (0.49) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL13530267 0.85 RXRA (0.46) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL13530274 0.85 LMNA (0.48) DHFRHTTMAPK1NTRK1CSF1R
SCHEMBL13529958 0.82 RXRA (0.40) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL13530214 0.82 PKM (0.49) DHFRHTTLMNAMAPTKDM4E
SCHEMBL13530115 0.80 PTGDR2 (0.40) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL13530410 0.80 DHFR (0.54) DHFR
SCHEMBL13764991 0.79 RXRA (0.43) DHFRHTTNTRK1CSF1RNTRK3
SCHEMBL13529612 0.78 SMN1; SMN2 (0.41) PDE4APDE4DLMNAMAPTPDE4B
SCHEMBL13530436 0.78 NPC1 (0.49) NTRK1CSF1RNTRK3NTRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DHFR 4/4885HTT 4162/4885PDE4A 904/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DHFR 4/4885HTT 4162/4885PDE4A 904/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DHFR 4/4885HTT 4162/4885PDE4A 904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.